%chk=000042635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042635

0 1
 O   0.9972000       2.415300       1.320400    
 O   -2.957200       1.039500      -2.529800    
 O   -2.965700      -1.433700       2.299300    
 O    4.112900      -1.647600     -0.8795000    
 O    4.298400      0.2743000      0.1650000    
 N   -2.166200     -0.2246000     -0.1280000    
 N  -0.2141000       1.828100      0.9970000    
 N    2.070400       1.646200      0.9042000    
 N    3.592100     -0.6399000     -0.3344000    
 C  -0.7667000     -0.2973000     -0.1628000    
 C   -2.843600       1.061600     -0.1408000    
 C   -2.971800      -1.434300     -9.2500001E-02
 C   8.8799998E-02  0.6826000      0.3736000    
 C  -0.1027000      -1.387000     -0.7546000    
 C    1.540900      0.5670000      0.3147000    
 C   -2.531200       1.820100      -1.420800    
 C   -2.677600      -2.238600       1.163600    
 C    2.184900     -0.5322000     -0.2825000    
 C    1.311400      -1.499500     -0.8121000    
 H   -3.929900      0.9117000     -9.6500002E-02
 H   -2.610800       1.655200      0.7476000    
 H   -4.039300      -1.181600     -9.6500002E-02
 H   -2.813700      -2.042400     -0.9900000    
 H  -0.6653000      -2.196200      -1.216500    
 H   -1.468600       2.038100      -1.550200    
 H   -3.070800       2.772400      -1.442900    
 H   -1.637600      -2.566500       1.234100    
 H   -3.310500      -3.131100       1.204300    
 H    1.714700      -2.387700      -1.298500    
 H   -3.912600      0.8864000      -2.433600    
 H   -3.903000      -1.179500       2.250700    


%chk=000042635-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042635

0 1
O 1.270197 2.859162 0.158124
O -4.142808 1.130588 -1.766933
O -4.028627 -1.552623 1.648145
O 4.351641 -1.967351 -0.271004
O 4.647423 0.291774 -0.017303
N -1.863403 -0.221294 -0.137886
N 0.034245 2.150153 0.089430
N 2.422792 1.964961 0.095378
N 3.895828 -0.755338 -0.143109
C -0.486962 -0.321857 -0.130401
C -2.603078 1.018966 0.208650
C -2.698461 -1.400142 -0.469072
C 0.389817 0.841563 -0.007800
C 0.194536 -1.566227 -0.266286
C 1.851910 0.728346 -0.012181
C -3.067225 1.821122 -1.025569
C -3.085305 -2.252839 0.760731
C 2.454909 -0.565104 -0.141804
C 1.604095 -1.673038 -0.269540
H -3.469136 0.716831 0.825130
H -1.958419 1.666637 0.821346
H -3.602603 -1.017685 -0.975782
H -2.164678 -2.027733 -1.204885
H -0.376409 -2.492791 -0.344873
H -2.239871 1.938665 -1.742062
H -3.389869 2.830111 -0.698398
H -2.204443 -2.456803 1.390568
H -3.504344 -3.220616 0.413148
H 2.076113 -2.655811 -0.363902
H -5.017122 1.367331 -1.367964
H -4.937945 -1.600156 1.258106


